| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:51:17 UTC |
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| Update Date | 2025-03-25 00:50:31 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02181477 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C14H18O3S |
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| Molecular Mass | 266.0977 |
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| SMILES | O=C(O)CCCCC1CCSc2cc(O)ccc21 |
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| InChI Key | MRXUUQMNYDWVEJ-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | thiochromanes |
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| Subclass | thiochromanes |
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| Direct Parent | thiochromanes |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | 1-benzothiopyrans1-hydroxy-2-unsubstituted benzenoidsalkylarylthioethersbenzenoidscarbonyl compoundscarboxylic acidsheterocyclic fatty acidshydrocarbon derivativeshydroxy fatty acidsmedium-chain fatty acidsmedium-chain hydroxy acids and derivativesmonocarboxylic acids and derivativesorganic oxidesthiopyrans |
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| Substituents | fatty acylcarbonyl groupcarboxylic acidheterocyclic fatty acid1-hydroxy-2-unsubstituted benzenoidfatty acidalkylarylthioethercarboxylic acid derivativemedium-chain hydroxy acidaryl thioether1-benzothiopyranorganic oxidearomatic heteropolycyclic compoundmedium-chain fatty acidhydroxy fatty acidthiochromanebenzothiopyranthiopyranmonocarboxylic acid or derivativesorganic oxygen compoundthioetherhydrocarbon derivativebenzenoidorganooxygen compound |
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